Input 04-vib_modes.01-ground_state.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| SCF convergence | 1.000000000000000e+00 | 1.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| Total Energy | -7.648125800000000e-01 | -7.648123000000000e-01 | 3.820000000000000e-06 | -2.799999999636427e-07 | PASS |
| Eigenvalues | -1.413520000000000e-01 | -1.413520000000000e-01 | 7.070000000000000e-06 | 0.000000000000000e+00 | PASS |
| Dipole Moment | 2.245260000000000e+00 | 2.245260000000000e+00 | 1.120000000000000e-04 | 0.000000000000000e+00 | PASS |